1-(1,3-diethylpyrazol-5-yl)-3-methylsulfonyl-N-propylbutan-2-amine

C15H29N3O2S — CID 105001567

IUPAC1-(1,3-diethylpyrazol-5-yl)-3-methylsulfonyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1cc(CC)nn1CC)C(C)S(C)(=O)=O
InChIInChI=1S/C15H29N3O2S/c1-6-9-16-15(12(4)21(5,19)20)11-14-10-13(7-2)17-18(14)8-3/h10,12,15-16H,6-9,11H2,1-5H3
InChIKeyJBDOJLSAJGRYLS-UHFFFAOYSA-N
MW315.48 g/mol
LogP1.81
Rot. Bonds9

About 1-(1,3-diethylpyrazol-5-yl)-3-methylsulfonyl-N-propylbutan-2-amine

1-(1,3-diethylpyrazol-5-yl)-3-methylsulfonyl-N-propylbutan-2-amine (PubChem CID 105001567) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-3-methylsulfonyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-3-methylsulfonyl-N-propylbutan-2-amine
PubChem CID105001567
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-3-methylsulfonyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1cc(CC)nn1CC)C(C)S(C)(=O)=O
InChIInChI=1S/C15H29N3O2S/c1-6-9-16-15(12(4)21(5,19)20)11-14-10-13(7-2)17-18(14)8-3/h10,12,15-16H,6-9,11H2,1-5H3
InChIKeyJBDOJLSAJGRYLS-UHFFFAOYSA-N
XLogP1.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-diethylpyrazol-5-yl)-N-methyl-3-methylsulfonylbutan-2-amine
CID 105001704
1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-methylhexan-2-amine
CID 105001734
1-(1,3-diethylpyrazol-5-yl)-N,3-diethylpentan-2-amine
CID 105001592
[1-(1,3-diethylpyrazol-5-yl)-3-methylpentan-2-yl]hydrazine
CID 105219741
1-(3,4-dimethylphenyl)-3-methylsulfonyl-N-propylbutan-2-amine
CID 104519960
1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dipropylhexan-2-amine
CID 104999036
2-(3,5-diethylpyrazol-1-yl)-N-propylpentan-3-amine
CID 82693268
N-[2-(1,3-diethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 105001653
[1-(1,3-diethylpyrazol-5-yl)-3-ethoxybutan-2-yl]hydrazine
CID 105222951
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4-methyl-N-propylpentan-2-amine
CID 116720461
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfonyl-N-propylbutan-2-amine
CID 105023459
N-[1-(2-bromofuran-3-yl)-2-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine
CID 106858001

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-3-methylsulfonyl-N-propylbutan-2-amine?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-3-methylsulfonyl-N-propylbutan-2-amine (CID 105001567) is 1-(1,3-diethylpyrazol-5-yl)-3-methylsulfonyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-3-methylsulfonyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-3-methylsulfonyl-N-propylbutan-2-amine is CCCNC(Cc1cc(CC)nn1CC)C(C)S(C)(=O)=O.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-3-methylsulfonyl-N-propylbutan-2-amine?
The InChIKey is JBDOJLSAJGRYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S/c1-6-9-16-15(12(4)21(5,19)20)11-14-10-13(7-2)17-18(14)8-3/h10,12,15-16H,6-9,11H2,1-5H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-3-methylsulfonyl-N-propylbutan-2-amine?
1-(1,3-diethylpyrazol-5-yl)-3-methylsulfonyl-N-propylbutan-2-amine has a molecular weight of 315.48 g/mol, XLogP of 1.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)-3-methylsulfonyl-N-propylbutan-2-amine is sourced from PubChem (CID 105001567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).